| SpectraBase Compound ID | AS2nAoC4fEF |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-11(2)7-5-8-12(3)9-6-10-15-13(4)14/h6-7,10,12H,5,8-9H2,1-4H3/b10-6- |
| InChIKey | CERRTFVGUKGYDU-POHAHGRESA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10p4GjBoyqA |
|---|---|
| Name | 1,7-Nonadien-1-ol, 4,8-dimethyl-, acetate, (Z)-(.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-11(2)7-5-8-12(3)9-6-10-15-13(4)14/h6-7,10,12H,5,8-9H2,1-4H3/b10-6- |
| InChIKey | CERRTFVGUKGYDU-POHAHGRESA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C(=O)(O\C=C/CC(CCC=C(C)C)C)C |